LAMMPS (8 Apr 2021)
# DPD Fluid

variable T    equal 1.0
variable rc   equal 1.0
variable rcD  equal 1.2

units		 lj
boundary     p p p
atom_style	 atomic
dimension    3
newton       on
comm_modify  vel yes

### create box and configuration
variable     L equal 5.0
lattice      fcc 3.0
Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424
region       simBox block 0 ${L} 0 ${L} 0 ${L}
region       simBox block 0 5 0 ${L} 0 ${L}
region       simBox block 0 5 0 5 0 ${L}
region       simBox block 0 5 0 5 0 5
create_box   2 simBox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (5.5032121 5.5032121 5.5032121)
  1 by 2 by 2 MPI processor grid
#create_atoms 1 region simBox
create_atoms 1 random 100 132456 simBox
Created 100 atoms
  create_atoms CPU = 0.001 seconds
create_atoms 2 random 100 132456 simBox
Created 100 atoms
  create_atoms CPU = 0.000 seconds
mass         1 1.0
mass         2 2.0
###

pair_style	 dpd/ext ${T} ${rc} 3854262
pair_style	 dpd/ext 1 ${rc} 3854262
pair_style	 dpd/ext 1 1 3854262

pair_coeff   1 1 25.0 4.5 4.53 0.5 0.53   1.2 #${rcD}
pair_coeff   1 2 25.1 4.51 4.54 0.51 0.54 1.21 #${rcD}
pair_coeff   2 2 25.2 4.52 4.55 0.52 0.55 1.22 #${rcD}

timestep     0.01
run_style    verlet

velocity all create ${T} 68768932
velocity all create 1 68768932

thermo_style custom step time temp press
thermo       500

fix 1 all    nve

run	     50000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair dpd/ext, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.064 | 3.064 | 3.064 Mbytes
Step Time Temp Press 
       0            0            1    7.9021356 
     500            5     0.937908    7.0735774 
    1000           10   0.89467862    7.7074585 
    1500           15    1.0197239    8.6662041 
    2000           20    1.0306203    8.0831978 
    2500           25   0.94106312    7.4609953 
    3000           30    1.0217162    7.7000536 
    3500           35    0.9694633    6.9496101 
    4000           40   0.89886564    7.5844291 
    4500           45    0.9914389    6.5459858 
    5000           50    1.0503316    7.1639528 
    5500           55   0.95397384    7.2900451 
    6000           60   0.91097079    7.4484481 
    6500           65    1.0212125    8.6396803 
    7000           70   0.84788375    9.2247619 
    7500           75    1.0477577    7.9631111 
    8000           80    1.0473514    7.2904431 
    8500           85    1.0482936    7.9668363 
    9000           90    1.0239558    7.1715815 
    9500           95    1.0727305    8.2075133 
   10000          100   0.96755536    7.8062307 
   10500          105    1.0357222    8.2249507 
   11000          110     1.053488    6.8283393 
   11500          115   0.89283913    8.9044509 
   12000          120    1.0085932    8.1844316 
   12500          125   0.84259725    6.9608932 
   13000          130    1.0559908    7.5907714 
   13500          135   0.95175487    8.8486631 
   14000          140     0.954129    8.2199072 
   14500          145    1.0034836    8.6956618 
   15000          150   0.99411864    7.3723436 
   15500          155    1.0876662    8.5906664 
   16000          160   0.98613154    7.6599681 
   16500          165    1.0355659    6.7243908 
   17000          170    1.0838802    7.5905171 
   17500          175   0.95966717    7.3268842 
   18000          180   0.91267962    8.1126836 
   18500          185    0.9625394    8.0889468 
   19000          190    1.0209688    7.2104928 
   19500          195   0.93315956    8.3484128 
   20000          200    1.0430989    6.4154856 
   20500          205     1.037892    7.3727084 
   21000          210    1.0551654    8.3732908 
   21500          215   0.97922101    8.0403654 
   22000          220    1.0480356    9.2304431 
   22500          225    1.0009668    8.0807868 
   23000          230    1.0808549    7.9128664 
   23500          235   0.99282487     7.550466 
   24000          240   0.96893196    8.0123396 
   24500          245   0.96945612    6.9129899 
   25000          250    0.9373397    6.2942852 
   25500          255   0.98958822    7.8259805 
   26000          260   0.97971277    7.3263113 
   26500          265   0.91588062     8.284996 
   27000          270    1.0045677     7.490418 
   27500          275   0.92664827    7.2434156 
   28000          280   0.98527367    7.1695053 
   28500          285   0.97862372    8.2272887 
   29000          290     1.067876    8.3157621 
   29500          295    1.0688998    7.5106281 
   30000          300     1.117583    8.8135518 
   30500          305     1.035452    7.3572033 
   31000          310      1.03275    8.1486503 
   31500          315   0.96000074    7.6740792 
   32000          320   0.91763282    7.6603754 
   32500          325   0.99394287    8.8127132 
   33000          330    1.0021499    7.9881263 
   33500          335   0.97639399    8.2361021 
   34000          340    1.0309313    8.2918535 
   34500          345    1.0214124    7.3886765 
   35000          350    1.0029326    8.2745874 
   35500          355    1.0634485    6.4161924 
   36000          360    1.0242523    7.4099968 
   36500          365    1.0302234    8.0604043 
   37000          370    1.0143945      7.34914 
   37500          375   0.99553421    6.8818266 
   38000          380    1.0073546    7.6254332 
   38500          385    1.0068118    7.4673312 
   39000          390   0.95181135    6.1644033 
   39500          395   0.98964849     8.501371 
   40000          400   0.99441011    8.1515808 
   40500          405    1.0339683    7.6747037 
   41000          410   0.99467835    7.8743708 
   41500          415    1.0231331    7.3169584 
   42000          420   0.94617359    8.0079888 
   42500          425    1.0163237    7.7949198 
   43000          430   0.97039825    8.8842702 
   43500          435    1.0326956    7.6700965 
   44000          440    1.1106283    8.2900664 
   44500          445   0.96697428    7.0408563 
   45000          450    1.0137186    6.8316108 
   45500          455    1.0531692    8.0051631 
   46000          460    1.0382619    7.2937333 
   46500          465   0.90277459    7.9676952 
   47000          470      1.00751    8.7594948 
   47500          475   0.95565907     8.320444 
   48000          480    1.0396091    7.9262425 
   48500          485    1.0349892     8.333501 
   49000          490    0.9759139    7.4839858 
   49500          495   0.91538068    7.1780491 
   50000          500    1.0310634    7.1522794 
Loop time of 8.5908 on 4 procs for 50000 steps with 200 atoms

Performance: 5028633.375 tau/day, 5820.178 timesteps/s
95.7% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.9505     | 5.054      | 5.1885     |   4.1 | 58.83
Neigh   | 0.47025    | 0.47603    | 0.47954    |   0.5 |  5.54
Comm    | 2.7876     | 2.9237     | 3.0336     |   5.5 | 34.03
Output  | 0.0024114  | 0.0029766  | 0.0046443  |   1.8 |  0.03
Modify  | 0.062911   | 0.064188   | 0.065603   |   0.4 |  0.75
Other   |            | 0.06992    |            |       |  0.81

Nlocal:        50.0000 ave          53 max          46 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Nghost:        296.000 ave         301 max         290 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Neighs:        410.750 ave         431 max         357 min
Histogram: 1 0 0 0 0 0 0 0 0 3

Total # of neighbors = 1643
Ave neighs/atom = 8.2150000
Neighbor list builds = 5000
Dangerous builds = 5000

write_data final.data pair ij
System init for write_data ...
Total wall time: 0:00:08
